3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone
[CAS# 257862-69-4]

Identification

• Name: 3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone
• Synonyms: Piperazine, 1-(3,3-dimethyl-1-oxobutyl)-4-[4-(trifluoromethyl)-2-pyridinyl]- (9CI); Maybridge3_006369
• Molecular Formula: C₁₆H₂₂F₃N₃O
• Molecular Weight: 329.36
• CAS Registry Number: 257862-69-4
• SMILES: FC(F)(F)c1cc(ncc1)N2CCN(C(=O)CC(C)(C)C)CC2
• InChI: 1S/C16H22F3N3O/c1-15(2,3)11-14(23)22-8-6-21(7-9-22)13-10-12(4-5-20-13)16(17,18)19/h4-5,10H,6-9,11H2,1-3H3
• InChIKey: YSHMYILKALVUOQ-UHFFFAOYSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 453.097°C at 760 mmHg (Cal.)
• Flash point: 227.825°C (Cal.)
• Refractive index: 1.496 (Cal.)